Modules specific to Niagara: Difference between revisions

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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Built to complement the rich, open source Python community, the Anaconda platform provides an enterprise-ready data analytics platform  that empowers companies to adopt a modern open data science analytics architecture. <br />Homepage: https://www.continuum.io/anaconda-overview </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Built to complement the rich, open source Python community, the Anaconda platform provides an enterprise-ready data analytics platform  that empowers companies to adopt a modern open data science analytics architecture. <br />Homepage: https://www.continuum.io/anaconda-overview </div>
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| align="center" | [http://arma.sourceforge.net/ armadillo]
| align="center" | 8.500.1
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Armadillo is an open-source C++ linear algebra library (matrix maths) aiming towards  a good balance between speed and ease of use. Integer, floating point and complex numbers are supported,  as well as a subset of trigonometric and statistics functions.<br />Homepage: http://arma.sourceforge.net/ </div>
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| align="center" | arpack-ng
| align="center" | arpack-ng
| align="center" | 3.5.0
| align="center" | 3.5.0
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
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| align="center" | aspect
| align="center" | 2.0.0 2.0.1
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
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| align="center" | [http://bazel.io/ bazel]
| align="center" | [http://bazel.io/ bazel]
| align="center" | 0.11.1
| align="center" | 0.11.1 0.15.0
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Bazel is a build tool that builds code quickly and reliably. It is used to build the majority of Google's software.<br />Homepage: http://bazel.io/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Bazel is a build tool that builds code quickly and reliably. It is used to build the majority of Google's software.<br />Homepage: http://bazel.io/ </div>
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| align="center" | [http://blast.ncbi.nlm.nih.gov/ blast+]
| align="center" | 2.7.1
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Basic Local Alignment Search Tool, or BLAST, is an algorithm  for comparing primary biological sequence information, such as the amino-acid  sequences of different proteins or the nucleotides of DNA sequences.<br />Homepage: http://blast.ncbi.nlm.nih.gov/ </div>
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| align="center" | [http://www.boost.org/ boost]
| align="center" | [http://www.boost.org/ boost]
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Boost provides free peer-reviewed portable C++ source libraries.<br />Homepage: http://www.boost.org/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Boost provides free peer-reviewed portable C++ source libraries.<br />Homepage: http://www.boost.org/ </div>
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| align="center" | [https://code.zmaw.de/projects/cdo cdo]
| align="center" | 1.9.4
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: CDO is a collection of command line Operators to manipulate and analyse Climate and NWP model Data.<br />Homepage: https://code.zmaw.de/projects/cdo </div>
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| align="center" | [http://heasarc.gsfc.nasa.gov/fitsio/ cfitsio]
| align="center" | [http://heasarc.gsfc.nasa.gov/fitsio/ cfitsio]
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: CFITSIO is a library of C and Fortran subroutines for reading and writing data files in FITS (Flexible Image Transport System) data format.<br />Homepage: http://heasarc.gsfc.nasa.gov/fitsio/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: CFITSIO is a library of C and Fortran subroutines for reading and writing data files in FITS (Flexible Image Transport System) data format.<br />Homepage: http://heasarc.gsfc.nasa.gov/fitsio/ </div>
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| align="center" | [http://www.cmake.org cmake]
| align="center" | cmake
| align="center" | 3.10.3 3.11.0 3.11.1
| align="center" | 3.10.3 3.11.0 3.11.1
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: CMake, the cross-platform, open-source build system.  CMake is a family of tools designed to build, test and package software.<br />Homepage: http://www.cmake.org </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description:   CMake, the cross-platform, open-source build system.  CMake is a family of tools designed to build, test and package software. <br />Homepage: </div>
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| align="center" | [http://www.cp2k.org/ cp2k]
| align="center" | [http://www.cp2k.org/ cp2k]
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| align="center" | [https://www.arm.com/products/development-tools/hpc-tools/cross-platform/forge ddt]
| align="center" | [https://www.arm.com/products/development-tools/hpc-tools/cross-platform/forge ddt]
| align="center" | 18.1.2
| align="center" | 18.1.2 18.2
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: ARM's HPC development tools: Distributed Debugging Tool and MAP Profiler<br />Homepage: https://www.arm.com/products/development-tools/hpc-tools/cross-platform/forge </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: ARM's HPC development tools: Distributed Debugging Tool and MAP Profiler<br />Homepage: https://www.arm.com/products/development-tools/hpc-tools/cross-platform/forge </div>
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| align="center" | [http://elpa.rzg.mpg.de elpa]
| align="center" | [http://elpa.rzg.mpg.de elpa]
| align="center" | 2016.05.003
| align="center" | 2016.05.003 2017.05.003 2018.05.001
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Eigenvalue SoLvers for Petaflop-Applications .<br />Homepage: http://elpa.rzg.mpg.de </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Eigenvalue SoLvers for Petaflop-Applications .<br />Homepage: http://elpa.rzg.mpg.de </div>
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| align="center" | fenics
| align="center" | 2017.2.0
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
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| align="center" | fetk
| align="center" | fetk
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: fmt (formerly cppformat) is an open-source formatting library.<br />Homepage: http://fmtlib.net/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: fmt (formerly cppformat) is an open-source formatting library.<br />Homepage: http://fmtlib.net/ </div>
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| align="center" | foam-extend
| align="center" | 4.0
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
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| align="center" | [http://hboehm.info/gc/ gc]
| align="center" | [http://hboehm.info/gc/ gc]
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| align="center" | 7.3.0
| align="center" | 7.3.0
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada, as well as libraries for these languages (libstdc++, libgcj,...).<br />Homepage: http://gcc.gnu.org/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada, as well as libraries for these languages (libstdc++, libgcj,...).<br />Homepage: http://gcc.gnu.org/ </div>
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| align="center" | [http://www.gnu.org/software/gdb/gdb.html gdb]
| align="center" | [http://www.gnu.org/software/gdb/gdb.html gdb]
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Git is a free and open source distributed version control system designed to handle everything from small to very large projects with speed and efficiency.<br />Homepage: http://git-scm.com/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Git is a free and open source distributed version control system designed to handle everything from small to very large projects with speed and efficiency.<br />Homepage: http://git-scm.com/ </div>
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| align="center" | [http://www.gtk.org/ glib]
| align="center" | 1.10.3 2.22.5
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: GLib is one of the base libraries of the GTK+ project<br />Homepage: http://www.gtk.org/ </div>
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| align="center" | g_mmpbsa
| align="center" | g_mmpbsa
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| align="center" | [http://www.gromacs.org gromacs]
| align="center" | [http://www.gromacs.org gromacs]
| align="center" | 2016.5
| align="center" | 2016.5 2016.5-plumed-2.4.1
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: GROMACS is a versatile package to perform molecular dynamics. i.e. simulating the Newtonian equations of motion for systems with hundreds to millions of particles. - CC-Wiki: GROMACS<br />Homepage: http://www.gromacs.org </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. This is CPU only build, containing both MPI and threadMPI builds. <br />Homepage: http://www.gromacs.org </div>
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| align="center" | [http://www.gnu.org/software/gsl/ gsl]
| align="center" | [http://www.gnu.org/software/gsl/ gsl]
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| align="center" | [http://www.gnu.org/software/guile guile]
| align="center" | [http://www.gnu.org/software/guile guile]
| align="center" | 2.0.11 2.2.3
| align="center" | 2.2.3
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Guile is the GNU Ubiquitous Intelligent Language for Extensions,  the official extension language for the GNU operating system.<br />Homepage: http://www.gnu.org/software/guile </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Guile is the GNU Ubiquitous Intelligent Language for Extensions,  the official extension language for the GNU operating system.<br />Homepage: http://www.gnu.org/software/guile </div>
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: HDF5 is a data model, library, and file format for storing and managing data.  It supports an unlimited variety of datatypes, and is designed for flexible  and efficient I/O and for high volume and complex data.<br />Homepage: https://support.hdfgroup.org/HDF5/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: HDF5 is a data model, library, and file format for storing and managing data.  It supports an unlimited variety of datatypes, and is designed for flexible  and efficient I/O and for high volume and complex data.<br />Homepage: https://support.hdfgroup.org/HDF5/ </div>
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| align="center" | [https://ccb.jhu.edu/software/hisat2/index.shtml hisat2]
| align="center" | 2.1.0
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: HISAT2 is a fast and sensitive alignment program for mapping next-generation sequencing reads  (both DNA and RNA) against the general human population (as well as against a single reference genome).<br />Homepage: https://ccb.jhu.edu/software/hisat2/index.shtml </div>
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| align="center" | hpn-ssh
| align="center" | 7.7p1-14v15
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
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| align="center" | [http://www.x.org/ imake]
| align="center" | 1.0.7
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: imake is a Makefile-generator that is intended to make it easier to develop software  portably for multiple systems.<br />Homepage: http://www.x.org/ </div>
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| align="center" | [https://software.intel.com/en-us/intel-parallel-studio-xe intel]
| align="center" | [https://software.intel.com/en-us/intel-parallel-studio-xe intel]
| align="center" | 2017.7 2018.2
| align="center" | 2017.7 2018.2 2018.3
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Compiler toolchain including Intel compilers and Intel Math Kernel Library (MKL).<br />Homepage: https://software.intel.com/en-us/intel-parallel-studio-xe </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Compiler toolchain including Intel compilers and Intel Math Kernel Library (MKL).<br />Homepage: https://software.intel.com/en-us/intel-parallel-studio-xe </div>
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| align="center" | [https://software.intel.com/en-us/intel-parallel-studio-xe intelmpi]
| align="center" | [https://software.intel.com/en-us/intel-parallel-studio-xe intelmpi]
| align="center" | 2017.7 2018.2
| align="center" | 2017.7 2018.2 2018.3
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Intel's (MPICH-based) MPI implementation.<br />Homepage: https://software.intel.com/en-us/intel-parallel-studio-xe </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Intel's (MPICH-based) MPI implementation.<br />Homepage: https://software.intel.com/en-us/intel-parallel-studio-xe </div>
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Java Platform, Standard Edition (Java SE) lets you develop and deploy  Java applications on desktops and servers.<br />Homepage: http://java.com/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Java Platform, Standard Edition (Java SE) lets you develop and deploy  Java applications on desktops and servers.<br />Homepage: http://java.com/ </div>
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| align="center" | [http://lammps.sandia.gov/ lammps]
| align="center" | 11May2018 22Sep2017
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description:  LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is  a classical molecular dynamics simulation. LAMMPS has potentials for solid-state materials  (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or  mesoscopic systems. It can be used to model atoms or, more generically, as a parallel  particle simulator at the atomic, meso, or continuum scale. It can be coupled to various  programs. The following packages are not included within this version:  -KIM, -MSCG, -KOKKOS, -USER-QUIP, -USER-INTEL, -USER-VTK<br />Homepage: http://lammps.sandia.gov/ </div>
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| align="center" | libatomic_ops
| align="center" | libatomic_ops
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
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| align="center" | [http://www.hyperrealm.com/libconfig/ libconfig]
| align="center" | 1.7.2
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Libconfig is a simple library for processing structured configuration files<br />Homepage: http://www.hyperrealm.com/libconfig/ </div>
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| align="center" | [http://ab-initio.mit.edu/libctl libctl]
| align="center" | [http://ab-initio.mit.edu/libctl libctl]
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The libffi library provides a portable, high level programming interface to various calling conventions. This allows a programmer to call any function specified by a call interface description at run-time.<br />Homepage: http://sourceware.org/libffi/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The libffi library provides a portable, high level programming interface to various calling conventions. This allows a programmer to call any function specified by a call interface description at run-time.<br />Homepage: http://sourceware.org/libffi/ </div>
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| align="center" | [https://github.com/evaleev/libint libint]
| align="center" | [https://sourceforge.net/p/libint/ libint]
| align="center" | 1.1.5
| align="center" | 1.1.5 1.1.6
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body  matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory.<br />Homepage: https://github.com/evaleev/libint </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body  matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory.<br />Homepage: https://sourceforge.net/p/libint/ </div>
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| align="center" | [http://www.gnu.org/software/libtool libtool]
| align="center" | 2.4.6
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: GNU libtool is a generic library support script. Libtool hides the complexity of using shared libraries  behind a consistent, portable interface.<br />Homepage: http://www.gnu.org/software/libtool </div>
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| align="center" | [http://www.gnu.org/software/libunistring/ libunistring]
| align="center" | [http://www.gnu.org/software/libunistring/ libunistring]
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| align="center" | [http://www.tddft.org/programs/octopus/wiki/index.php/Libxc libxc]
| align="center" | [http://www.tddft.org/programs/octopus/wiki/index.php/Libxc libxc]
| align="center" | 3.0.0
| align="center" | 3.0.0 4.0.3 4.0.5
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Libxc is a library of exchange-correlation functionals for density-functional theory.  The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals.<br />Homepage: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Libxc is a library of exchange-correlation functionals for density-functional theory.  The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals.<br />Homepage: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc </div>
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Libxslt is the XSLT C library developed for the GNOME project  (but usable outside of the Gnome platform).<br />Homepage: http://xmlsoft.org/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Libxslt is the XSLT C library developed for the GNOME project  (but usable outside of the Gnome platform).<br />Homepage: http://xmlsoft.org/ </div>
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| align="center" | [http://pyyaml.org/wiki/LibYAML libyaml]
| align="center" | libyaml
| align="center" | 0.1.7
| align="center" | 0.1.7
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: LibYAML is a YAML 1.1 parser and emitter written in C.<br />Homepage: http://pyyaml.org/wiki/LibYAML </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: LibYAML is a YAML parser and emitter written in C.<br />Homepage: </div>
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| align="center" | [https://symas.com/lmdb lmdb]
| align="center" | 0.9.22
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: LMDB is a fast, memory-efficient database. With memory-mapped files, it has the read performance  of a pure in-memory database while retaining the persistence of standard disk-based databases.<br />Homepage: https://symas.com/lmdb </div>
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| align="center" | [http://www.linuxfromscratch.org/blfs/view/svn/x/makedepend.html makedepend]
| align="center" | 1.0.5
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The makedepend package contains a C-preprocessor like utility to determine build-time dependencies.<br />Homepage: http://www.linuxfromscratch.org/blfs/view/svn/x/makedepend.html </div>
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| align="center" | [http://www.mathworks.com/products/compiler/mcr/ mcr]
| align="center" | R2018a
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The MATLAB Runtime is a standalone set of shared libraries  that enables the execution of compiled MATLAB applications  or components on computers that do not have MATLAB installed.<br />Homepage: http://www.mathworks.com/products/compiler/mcr/ </div>
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| align="center" | [http://ab-initio.mit.edu/wiki/index.php/Meep meep]
| align="center" | [http://ab-initio.mit.edu/wiki/index.php/Meep meep]
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Meep (or MEEP) is a free finite-difference time-domain (FDTD) simulation software package  developed at MIT to model electromagnetic systems.<br />Homepage: http://ab-initio.mit.edu/wiki/index.php/Meep </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Meep (or MEEP) is a free finite-difference time-domain (FDTD) simulation software package  developed at MIT to model electromagnetic systems.<br />Homepage: http://ab-initio.mit.edu/wiki/index.php/Meep </div>
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| align="center" | [http://ab-initio.mit.edu/wiki/index.php/Meep meep-mpi]
| align="center" | 1.4.3
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Meep (or MEEP) is a free finite-difference time-domain (FDTD) simulation software package  developed at MIT to model electromagnetic systems.<br />Homepage: http://ab-initio.mit.edu/wiki/index.php/Meep </div>
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| align="center" | [http://mercurial.selenic.com/ mercurial]
| align="center" | 4.6
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Mercurial is a free, distributed source control management tool. It efficiently handles projects of any size and offers an easy and intuitive interface. <br />Homepage: http://mercurial.selenic.com/ </div>
|-
|-
| align="center" | [http://glaros.dtc.umn.edu/gkhome/metis/metis/overview metis]
| align="center" | [http://glaros.dtc.umn.edu/gkhome/metis/metis/overview metis]
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|-
| align="center" | [http://software.intel.com/en-us/intel-mkl/ mkl]
| align="center" | [http://software.intel.com/en-us/intel-mkl/ mkl]
| align="center" | 2017.7 2018.2 2018.2.lua
| align="center" | 2017.7 2018.2 2018.2.lua 2018.3
| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Intel's Math Kernel Library, for use with gcc modules (the intel modules include mkl already).<br />Homepage: http://software.intel.com/en-us/intel-mkl/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Intel's Math Kernel Library, for use with gcc modules (the intel modules include mkl already).<br />Homepage: http://software.intel.com/en-us/intel-mkl/ </div>
|-
|-
| align="center" | mpb
| align="center" | mpb
| align="center" | 1.6.2
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
|-
| align="center" | mpb-mpi
| align="center" | 1.6.2
| align="center" | 1.6.2
| align="center" |  
| align="center" |  
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| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: NCL is an interpreted language designed specifically for scientific data analysis and visualization.<br />Homepage: http://www.ncl.ucar.edu </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: NCL is an interpreted language designed specifically for scientific data analysis and visualization.<br />Homepage: http://www.ncl.ucar.edu </div>
|-
| align="center" | [https://github.com/nco/pynco nco]
| align="center" | 4.7.4
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Python bindings for NCO<br />Homepage: https://github.com/nco/pynco </div>
|-
|-
| align="center" | [http://www.unidata.ucar.edu/software/netcdf/ netcdf]
| align="center" | [http://www.unidata.ucar.edu/software/netcdf/ netcdf]
| align="center" | 1.9.0 4.6.1
| align="center" | 1.9.0 4.6.1
| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data.<br />Homepage: http://www.unidata.ucar.edu/software/netcdf/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: NetCDF (network Common Data Form) is a set of software libraries   and machine-independent data formats that support the creation, access, and sharing of array-oriented   scientific data.<br />Homepage: http://www.unidata.ucar.edu/software/netcdf/ </div>
|-
|-
| align="center" | [http://www.unidata.ucar.edu/software/netcdf/ netcdf-mpi]
| align="center" | [http://www.unidata.ucar.edu/software/netcdf/ netcdf-mpi]
| align="center" | 4.6.1
| align="center" | 4.6.1
| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data.<br />Homepage: http://www.unidata.ucar.edu/software/netcdf/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: NetCDF (network Common Data Form) is a set of software libraries   and machine-independent data formats that support the creation, access, and sharing of array-oriented   scientific data.<br />Homepage: http://www.unidata.ucar.edu/software/netcdf/ </div>
|-
|-
| align="center" | [http://www.gnu.org/software/octave/ octave]
| align="center" | [http://www.gnu.org/software/octave/ octave]
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| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.<br />Homepage: http://xianyi.github.com/OpenBLAS/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.<br />Homepage: http://xianyi.github.com/OpenBLAS/ </div>
|-
| align="center" | [http://www.openfoam.com/ openfoam]
| align="center" | 17.12 4.1 5.0 5.0-debug
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: OpenFOAM is a free, open source CFD software package.  OpenFOAM has an extensive range of features to solve anything from complex fluid flows  involving chemical reactions, turbulence and heat transfer,  to solid dynamics and electromagnetics.<br />Homepage: http://www.openfoam.com/ </div>
|-
|-
| align="center" | [http://www.open-mpi.org/ openmpi]
| align="center" | [http://www.open-mpi.org/ openmpi]
| align="center" | 2.1.3 3.0.1 3.1.0rc3 3.1.0rc4
| align="center" | 1.10.7 2.1.3 3.0.1 3.0.2 3.1.0 3.1.0rc3 3.1.0rc4 3.1.1
| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The Open MPI Project is an open source MPI-2 implementation.<br />Homepage: http://www.open-mpi.org/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The Open MPI Project is an open source MPI-2 implementation.<br />Homepage: http://www.open-mpi.org/ </div>
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| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: ParaView is a scientific parallel visualizer.<br />Homepage: http://www.paraview.org </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: ParaView is a scientific parallel visualizer.<br />Homepage: http://www.paraview.org </div>
|-
| align="center" | perf-reports
| align="center" | 18.2
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
|-
|-
| align="center" | [http://www.perl.org/ perl]
| align="center" | [http://www.perl.org/ perl]
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|-
| align="center" | [http://www.mcs.anl.gov/petsc petsc]
| align="center" | [http://www.mcs.anl.gov/petsc petsc]
| align="center" | 3.8.4 3.8.4-debug
| align="center" | 3.8.4 3.8.4-debug 3.9.2
| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the  scalable (parallel) solution of scientific applications modeled by partial differential equations.<br />Homepage: http://www.mcs.anl.gov/petsc </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the  scalable (parallel) solution of scientific applications modeled by partial differential equations.<br />Homepage: http://www.mcs.anl.gov/petsc </div>
|-
|-
| align="center" | [http://www.astro.caltech.edu/~tjp/pgplot/ pgplot]
| align="center" | [http://www.astro.caltech.edu/~tjp/pgplot/ pgplot]
| align="center" | 5.2.2
| align="center" | 5.2.2 5.2.2-x
| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The PGPLOT Graphics Subroutine Library is a Fortran- or C-callable, device-independent graphics package for making simple scientific graphs. It is intended for making graphical images of publication quality with minimum effort on the part of the user. For most applications, the program can be device-independent, and the output can be directed to the appropriate device at run time.<br />Homepage: http://www.astro.caltech.edu/~tjp/pgplot/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The PGPLOT Graphics Subroutine Library is a Fortran- or C-callable, device-independent graphics package for making simple scientific graphs. It is intended for making graphical images of publication quality with minimum effort on the part of the user. For most applications, the program can be device-independent, and the output can be directed to the appropriate device at run time.<br />Homepage: http://www.astro.caltech.edu/~tjp/pgplot/ </div>
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| align="center" | 2.4.1
| align="center" | 2.4.1
| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: PLUMED is an open source library for free energy calculations in molecular systems which  works together with some of the most popular molecular dynamics engines. Free energy calculations can be   performed as a function of many order parameters with a particular  focus on biological problems, using  state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD.  The software, written in C++, can be easily interfaced with both fortran and C/C++ codes. <br />Homepage: http://www.plumed-code.org </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: PLUMED is an open source library for free energy calculations in molecular systems which  works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular  focus on biological problems, using  state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD.  The software, written in C++, can be easily interfaced with both fortran and C/C++ codes. <br />Homepage: http://www.plumed-code.org </div>
|-
|-
| align="center" | [https://trac.mcs.anl.gov/projects/parallel-netcdf pnetcdf]
| align="center" | [https://trac.mcs.anl.gov/projects/parallel-netcdf pnetcdf]
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| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Python is a programming language that lets you work more quickly and integrate your systems  more effectively.<br />Homepage: http://python.org/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Python is a programming language that lets you work more quickly and integrate your systems  more effectively.<br />Homepage: http://python.org/ </div>
|-
| align="center" | qhull
| align="center" | 2015.2
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description:  Qhull computes the convex hull, Delaunay triangulation, Voronoi diagram,  halfspace intersection about a point, furthest-site Delaunay triangulation,  and furthest-site Voronoi diagram. The source code runs in 2-d, 3-d, 4-d, and  higher dimensions. Qhull implements the Quickhull algorithm for computing the  convex hull. <br />Homepage:  </div>
|-
| align="center" | quantum-espresso
| align="center" | 6.2.1
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
|-
| align="center" | [http://www.r-project.org/ r]
| align="center" | 1.1.1 3.5.0 4.0.1 R2018a
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: R is a free software environment for statistical computing and graphics.<br />Homepage: http://www.r-project.org/ </div>
|-
| align="center" | rarray
| align="center" | 1.2
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
|-
|-
| align="center" | [https://rsync.samba.org/ rsync]
| align="center" | [https://rsync.samba.org/ rsync]
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| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Utility that provides fast incremental file transfer; this module provides a newer version than is present in the operating system.<br />Homepage: https://rsync.samba.org/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Utility that provides fast incremental file transfer; this module provides a newer version than is present in the operating system.<br />Homepage: https://rsync.samba.org/ </div>
|-
| align="center" | [https://www.rust-lang.org rust]
| align="center" | 1.26.1
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Rust is a systems programming language that runs blazingly fast, prevents segfaults,  and guarantees thread safety.<br />Homepage: https://www.rust-lang.org </div>
|-
| align="center" | [http://www.htslib.org/ samtools]
| align="center" | 1.8
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: SAM Tools provide various utilities for manipulating alignments in the SAM format,  including sorting, merging, indexing and generating alignments in a per-position format.<br />Homepage: http://www.htslib.org/ </div>
|-
| align="center" | [http://www.netlib.org/scalapack/ scalapack]
| align="center" | 2.0.2
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines  redesigned for distributed memory MIMD parallel computers.<br />Homepage: http://www.netlib.org/scalapack/ </div>
|-
|-
| align="center" | [http://www.scons.org/ scons]
| align="center" | [http://www.scons.org/ scons]
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| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: SCons is a software construction tool.<br />Homepage: http://www.scons.org/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: SCons is a software construction tool.<br />Homepage: http://www.scons.org/ </div>
|-
| align="center" | [http://www.shengbte.org/ shengbte]
| align="center" | 1.1.1
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: ShengBTE is a software package for solving the Boltzmann Transport Equation for phonons.  Also installed is the 'thirdorder' package of Python scripts.<br />Homepage: http://www.shengbte.org/ </div>
|-
| align="center" | [https://wci.llnl.gov/codes/silo/ silo]
| align="center" | 4.10.2-bsd
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Silo is a library for reading and writing a wide variety of scientific data to binary, disk files<br />Homepage: https://wci.llnl.gov/codes/silo/ </div>
|-
| align="center" | [http://singularity.lbl.gov singularity]
| align="center" | 2.5.2
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Singularity is a portable application stack packaging and runtime utility.<br />Homepage: http://singularity.lbl.gov </div>
|-
|-
| align="center" | [http://spglib.sourceforge.net/ spglib]
| align="center" | [http://spglib.sourceforge.net/ spglib]
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Spglib is a C library for finding and handling crystal symmetries.<br />Homepage: http://spglib.sourceforge.net/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Spglib is a C library for finding and handling crystal symmetries.<br />Homepage: http://spglib.sourceforge.net/ </div>
|-
|-
| align="center" | [http://www.sqlite.org/ sqlite]
| align="center" | sqlite
| align="center" | 3.23.0
| align="center" | 3.23.0
| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: SQLite: SQL Database Engine in a C Library<br />Homepage: http://www.sqlite.org/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: SQLite: SQL Database Engine in a C Library<br />Homepage: </div>
|-
| align="center" | [http://su2.stanford.edu su2]
| align="center" | 5.0.0 6.0.0
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: An open-source collection of software tools written in C++ for performing Partial Differential Equation (PDE) analysis and solving PDE-constrained optimization problems. The toolset is designed with computational fluid dynamics and aerodynamic shape optimization in mind.<br />Homepage: http://su2.stanford.edu </div>
|-
|-
| align="center" | [http://subversion.apache.org/ subversion]
| align="center" | [http://subversion.apache.org/ subversion]
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| align="center" | 3.0.12
| align="center" | 3.0.12
| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: SWIG is a software development tool that connects programs written in C and C++ with a variety of high-level programming languages.<br />Homepage: http://www.swig.org/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: SWIG is a software development tool that connects programs written in C and C++ with a variety of high-level programming languages.<br />Homepage: http://www.swig.org/ </div>
|-
| align="center" | thirdorder
| align="center" | 1.1.1
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: <br />Homepage:  </div>
|-
|-
| align="center" | [http://trilinos.sandia.gov/ trilinos]
| align="center" | [http://trilinos.sandia.gov/ trilinos]
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| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The Trilinos Project is an effort to develop algorithms and enabling technologies  within an object-oriented software framework for the solution of large-scale, complex multi-physics  engineering and scientific problems. A unique design feature of Trilinos is its focus on packages.<br />Homepage: http://trilinos.sandia.gov/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The Trilinos Project is an effort to develop algorithms and enabling technologies  within an object-oriented software framework for the solution of large-scale, complex multi-physics  engineering and scientific problems. A unique design feature of Trilinos is its focus on packages.<br />Homepage: http://trilinos.sandia.gov/ </div>
|-
|-
| align="center" | [http://valgrind.org/downloads/ valgrind]
| align="center" | [http://valgrind.org valgrind]
| align="center" | 3.13.0
| align="center" | 3.13.0
| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Valgrind: Debugging and profiling tools<br />Homepage: http://valgrind.org/downloads/ </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Valgrind: Debugging and profiling tools<br />Homepage: http://valgrind.org </div>
|-
|-
| align="center" | [https://wci.llnl.gov/simulation/computer-codes/visit visit]
| align="center" | [https://wci.llnl.gov/simulation/computer-codes/visit visit]
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| align="center" |  
| align="center" |  
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular    systems using 3-D graphics and built-in scripting.<br />Homepage: http://www.ks.uiuc.edu/Research/vmd </div>
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular    systems using 3-D graphics and built-in scripting.<br />Homepage: http://www.ks.uiuc.edu/Research/vmd </div>
|-
| align="center" | [http://www.vtk.org vtk]
| align="center" | 8.1.1
| align="center" |
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: The Visualization Toolkit (VTK) is an open-source, freely available software system for  3D computer graphics, image processing and visualization. VTK consists of a C++ class library and several  interpreted interface layers including Tcl/Tk, Java, and Python. VTK supports a wide variety of visualization  algorithms including: scalar, vector, tensor, texture, and volumetric methods; and advanced modeling techniques  such as: implicit modeling, polygon reduction, mesh smoothing, cutting, contouring, and Delaunay triangulation.<br />Homepage: http://www.vtk.org </div>
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Rzon
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